D221-0086 Screening compound: 3-tert-butyl-6-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

D221-0086 Screening compound: 3-tert-butyl-6-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
D221-0086 Screening compound: 3-tert-butyl-6-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D221-0086
3-tert-butyl-6-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

D221-0086

Molecular Formula

C15H18N4O2S (C15 H18 N4 O2 S)

Compound Name

3-tert-butyl-6-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

IUPAC name

3-tert-butyl-6-(34-dimethoxyphenyl)-[124]triazolo[34-b][134]thiadiazole

SMILES

CC(C)(C)c1nnc2sc(-c(cc3)cc(OC)c3OC)nn12

InChI

InChI=1S/C15H18N4O2S/c1-15(2,3)13-16-17-14-19(13)18-12(22-14)9-6-7-10(20-4)11(8-9)21-5/h6-8H,1-5H3

InChI Key

GDQQBRDLKXLQDZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06596182

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.971

Distribution Coefficient, logD

2.971

Water Solubility, LogSw

-3.21

Polar Surface Area

49.254

Acid Dissociation Constant (pKa)

30.64

Base Dissociation Constant (pKb)

0.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

D221-0086 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Cardiovascular Library (22201 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cardiovascular
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D221-0086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D221-0086?
Check Price and Availability of D221-0086, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D221-0086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D221-0086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D221-0086
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of D221-0086 available by request